Information card for entry 8101811

Structure parameters

• Chemical name: cis-4-benzyl-4-methyl-2,6-diphenyl-4H-thiopyran-1-oxide
• Formula: C25 H22 O S
• Calculated formula: C25 H22 O S
• Title of publication: Crystal structures of cis- and trans-4-benzyl-4-methyl-2,6-diphenyl- 4H-thiopyran-1-oxide, C~25~H~22~OS
• Authors of publication: F. Jafarpour; H. Pirelahi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 420 - 424
• a: 9.6786 ± 0.0016 Å
• b: 13.663 ± 0.002 Å
• c: 15.348 ± 0.002 Å
• α: 90°
• β: 106.233 ± 0.005°
• γ: 90°
• Cell volume: 1948.7 ± 0.5 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No